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Computing and Visualizing Dynamic Time Warping Alignments in R : The dtw Package

Journal of statistical software, 2009-08, Vol.31 (7)

Giorgino, Toni

2009

Volltextzugriff (PDF)

Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD

Computer physics communications, 2014-01, Vol.185 (1), p.317-322

Giorgino, Toni

2014

Volltextzugriff (PDF)

Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations

Proceedings of the National Academy of Sciences - PNAS, 2011-06, Vol.108 (25), p.10184-10189

2011

Volltextzugriff (PDF)

PLUMED-GUI: An environment for the interactive development of molecular dynamics analysis and biasing scripts

Computer physics communications, 2014-03, Vol.185 (3), p.1109-1114

Giorgino, Toni

2014

Volltextzugriff (PDF)

Identification of slow molecular order parameters for Markov model construction

The Journal of chemical physics, 2013-07, Vol.139 (1), p.015102-015102

2013

Volltextzugriff (PDF)

METAGUI 3: A graphical user interface for choosing the collective variables in molecular dynamics simulations

Computer physics communications, 2017-08, Vol.217, p.204-209

2017

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Machine learning coarse-grained potentials of protein thermodynamics

Nature communications, 2023-09, Vol.14 (1), p.5739-5739, Article 5739

2023

Volltextzugriff (PDF)

MEMBPLUGIN: studying membrane complexity in VMD

Bioinformatics, 2014-05, Vol.30 (10), p.1478-1480

2014

Volltextzugriff (PDF)

Exploring the role of interdisciplinarity in physics: Success, talent and luck

PloS one, 2019-06, Vol.14 (6), p.e0218793-e0218793

2019

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Drug Discovery and Molecular Dynamics: Methods, Applications and Perspective Beyond the Second Timescale

Current topics in medicinal chemistry, 2017-01, Vol.17 (23), p.2617

2017

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A High-Throughput Steered Molecular Dynamics Study on the Free Energy Profile of Ion Permeation through Gramicidin A

Journal of chemical theory and computation, 2011-06, Vol.7 (6), p.1943-1950

2011

Volltextzugriff (PDF)

How to differentiate collective variables in free energy codes: Computer-algebra code generation and automatic differentiation

Computer physics communications, 2018-07, Vol.228, p.258-263

Giorgino, Toni

2018

Volltextzugriff (PDF)

Analysis Libraries for Molecular Trajectories: A Cross-Language Synopsis

Methods in molecular biology (Clifton, N.J.), 2019, Vol.2022, p.503

Giorgino, Toni

2019

Volltextzugriff (PDF)

The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties

European biophysics journal, 2020, Vol.49 (1), p.11-19

2020

Volltextzugriff (PDF)

A novel hotspot of gelsolin instability triggers an alternative mechanism of amyloid aggregation

Computational and structural biotechnology journal, 2021-01, Vol.19, p.6355-6365

2021

Volltextzugriff (PDF)

Second primary malignancies in postpolycythemia vera and postessential thrombocythemia myelofibrosis: A study on 2233 patients

Cancer medicine (Malden, MA), 2019-08, Vol.8 (9), p.4089-4092

2019

Volltextzugriff (PDF)

PYCV: a PLUMED 2 Module Enabling the Rapid Prototyping of Collective Variables in Python

Journal of open source software, 2019-10, Vol.4 (42), p.1773

Giorgino, Toni

2019

Volltextzugriff (PDF)

Health dialog systems for patients and consumers

Journal of biomedical informatics, 2006-10, Vol.39 (5), p.556-571

2006

Volltextzugriff (PDF)

Computing diffusion coefficients in macromolecular simulations: the Diffusion Coefficient Tool for VMD

Journal of open source software, 2019-09, Vol.4 (41), p.1698

Giorgino, Toni

2019

Volltextzugriff (PDF)

PlayMolecule ProteinPrepare: A Web Application for Protein Preparation for Molecular Dynamics Simulations

Journal of chemical information and modeling, 2017-07, Vol.57 (7), p.1511-1516

2017

Volltextzugriff (PDF)

TorchMD: A Deep Learning Framework for Molecular Simulations

Journal of chemical theory and computation, 2021-04, Vol.17 (4), p.2355-2363

2021

Volltextzugriff (PDF)

Classification Model for the Second Extracellular Loop of Class A GPCRs

Journal of chemical information and modeling, 2022-02, Vol.62 (3), p.511-522

2022

Volltextzugriff (PDF)

Different mechanisms of GIP and GLP-1 action explain their different therapeutic efficacy in type 2 diabetes

Metabolism, clinical and experimental, 2021-01, Vol.114, p.154415-154415, Article 154415

2021

Volltextzugriff (PDF)

Matching incomplete time series with dynamic time warping: an algorithm and an application to post-stroke rehabilitation

Artificial intelligence in medicine, 2009-01, Vol.45 (1), p.11-34

2009

Volltextzugriff (PDF)

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Computing and Visualizing Dynamic Time Warping Alignments in R : The dtw Package

Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD

Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations

PLUMED-GUI: An environment for the interactive development of molecular dynamics analysis and biasing scripts

Identification of slow molecular order parameters for Markov model construction

METAGUI 3: A graphical user interface for choosing the collective variables in molecular dynamics simulations

Machine learning coarse-grained potentials of protein thermodynamics

MEMBPLUGIN: studying membrane complexity in VMD

Exploring the role of interdisciplinarity in physics: Success, talent and luck

Drug Discovery and Molecular Dynamics: Methods, Applications and Perspective Beyond the Second Timescale

A High-Throughput Steered Molecular Dynamics Study on the Free Energy Profile of Ion Permeation through Gramicidin A

How to differentiate collective variables in free energy codes: Computer-algebra code generation and automatic differentiation

Analysis Libraries for Molecular Trajectories: A Cross-Language Synopsis

The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties

A novel hotspot of gelsolin instability triggers an alternative mechanism of amyloid aggregation

Second primary malignancies in postpolycythemia vera and postessential thrombocythemia myelofibrosis: A study on 2233 patients

Second primary malignancies in ruxolitinib-treated myelofibrosis: real-world evidence from 219 consecutive patients

PYCV: a PLUMED 2 Module Enabling the Rapid Prototyping of Collective Variables in Python

Health dialog systems for patients and consumers

Computing diffusion coefficients in macromolecular simulations: the Diffusion Coefficient Tool for VMD

PlayMolecule ProteinPrepare: A Web Application for Protein Preparation for Molecular Dynamics Simulations

TorchMD: A Deep Learning Framework for Molecular Simulations

Classification Model for the Second Extracellular Loop of Class A GPCRs

Different mechanisms of GIP and GLP-1 action explain their different therapeutic efficacy in type 2 diabetes

Matching incomplete time series with dynamic time warping: an algorithm and an application to post-stroke rehabilitation

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